N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C12H14ClFN2O3S — CID 80519939

IUPACN-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFN2O3S/c13-10-2-1-8(5-11(10)14)16-12(17)6-9-7-20(18,19)4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyMSBCRRCYPBMTFH-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.19
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 80519939) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID80519939
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFN2O3S/c13-10-2-1-8(5-11(10)14)16-12(17)6-9-7-20(18,19)4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17)
InChIKeyMSBCRRCYPBMTFH-UHFFFAOYSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 80519939) is N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is MSBCRRCYPBMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-10-2-1-8(5-11(10)14)16-12(17)6-9-7-20(18,19)4-3-15-9/h1-2,5,9,15H,3-4,6-7H2,(H,16,17).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 320.77 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 80519939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).